USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 504 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc=-8.55e-05 USER MOD Single : A 48 THR OG1 : rot 83:sc= 0.318 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 59 SER OG : rot 108:sc= 1.42 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -84:sc= 0.507 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0914 X(o=-0.091,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N PHE A 38 5.484 -25.837 12.913 1.00 0.00 N ATOM 88 CA PHE A 38 4.258 -25.095 13.231 1.00 0.00 C ATOM 89 C PHE A 38 4.485 -23.795 14.026 1.00 0.00 C ATOM 90 O PHE A 38 3.596 -22.947 14.057 1.00 0.00 O ATOM 91 CB PHE A 38 3.291 -26.030 13.972 1.00 0.00 C ATOM 92 CG PHE A 38 2.882 -27.264 13.182 1.00 0.00 C ATOM 93 CD1 PHE A 38 2.391 -27.135 11.869 1.00 0.00 C ATOM 94 CD2 PHE A 38 2.992 -28.547 13.753 1.00 0.00 C ATOM 95 CE1 PHE A 38 2.012 -28.267 11.131 1.00 0.00 C ATOM 96 CE2 PHE A 38 2.614 -29.684 13.015 1.00 0.00 C ATOM 97 CZ PHE A 38 2.125 -29.545 11.705 1.00 0.00 C ATOM 0 HA PHE A 38 3.830 -24.767 12.283 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.756 -26.348 14.905 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.395 -25.470 14.237 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.305 -26.154 11.425 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.367 -28.658 14.760 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.635 -28.156 10.125 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.700 -30.666 13.457 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.836 -30.419 11.140 1.00 0.00 H new ATOM 107 N ASP A 39 5.665 -23.609 14.629 1.00 0.00 N ATOM 108 CA ASP A 39 6.049 -22.432 15.421 1.00 0.00 C ATOM 109 C ASP A 39 5.844 -21.110 14.656 1.00 0.00 C ATOM 110 O ASP A 39 5.273 -20.158 15.195 1.00 0.00 O ATOM 111 CB ASP A 39 7.515 -22.616 15.841 1.00 0.00 C ATOM 112 CG ASP A 39 7.935 -21.678 16.970 1.00 0.00 C ATOM 113 OD1 ASP A 39 7.789 -22.104 18.137 1.00 0.00 O ATOM 114 OD2 ASP A 39 8.464 -20.594 16.644 1.00 0.00 O ATOM 0 H ASP A 39 6.411 -24.303 14.577 1.00 0.00 H new ATOM 0 HA ASP A 39 5.405 -22.360 16.297 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.670 -23.648 16.157 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.158 -22.447 14.978 1.00 0.00 H new ATOM 119 N GLU A 40 6.234 -21.090 13.372 1.00 0.00 N ATOM 120 CA GLU A 40 6.007 -19.970 12.452 1.00 0.00 C ATOM 121 C GLU A 40 4.527 -19.578 12.390 1.00 0.00 C ATOM 122 O GLU A 40 4.206 -18.409 12.596 1.00 0.00 O ATOM 123 CB GLU A 40 6.600 -20.284 11.062 1.00 0.00 C ATOM 124 CG GLU A 40 5.978 -21.502 10.344 1.00 0.00 C ATOM 125 CD GLU A 40 5.060 -21.205 9.154 1.00 0.00 C ATOM 126 OE1 GLU A 40 4.553 -20.071 9.063 1.00 0.00 O ATOM 127 OE2 GLU A 40 4.848 -22.134 8.345 1.00 0.00 O ATOM 0 H GLU A 40 6.727 -21.870 12.937 1.00 0.00 H new ATOM 0 HA GLU A 40 6.532 -19.096 12.838 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.480 -19.407 10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.671 -20.454 11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.789 -22.143 9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.410 -22.075 11.077 1.00 0.00 H new ATOM 134 N LEU A 41 3.628 -20.557 12.197 1.00 0.00 N ATOM 135 CA LEU A 41 2.179 -20.367 12.119 1.00 0.00 C ATOM 136 C LEU A 41 1.629 -19.799 13.425 1.00 0.00 C ATOM 137 O LEU A 41 0.802 -18.887 13.385 1.00 0.00 O ATOM 138 CB LEU A 41 1.452 -21.686 11.798 1.00 0.00 C ATOM 139 CG LEU A 41 1.879 -22.389 10.500 1.00 0.00 C ATOM 140 CD1 LEU A 41 1.157 -23.735 10.400 1.00 0.00 C ATOM 141 CD2 LEU A 41 1.535 -21.566 9.255 1.00 0.00 C ATOM 0 H LEU A 41 3.904 -21.533 12.088 1.00 0.00 H new ATOM 0 HA LEU A 41 1.997 -19.658 11.311 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.606 -22.375 12.629 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.382 -21.485 11.744 1.00 0.00 H new ATOM 0 HG LEU A 41 2.961 -22.517 10.537 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.455 -24.240 9.481 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.422 -24.354 11.257 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.080 -23.570 10.391 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.856 -22.104 8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.458 -21.403 9.213 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.046 -20.604 9.302 1.00 0.00 H new ATOM 153 N GLN A 42 2.095 -20.327 14.569 1.00 0.00 N ATOM 154 CA GLN A 42 1.718 -19.828 15.890 1.00 0.00 C ATOM 155 C GLN A 42 2.051 -18.336 16.006 1.00 0.00 C ATOM 156 O GLN A 42 1.138 -17.530 16.166 1.00 0.00 O ATOM 157 CB GLN A 42 2.359 -20.638 17.032 1.00 0.00 C ATOM 158 CG GLN A 42 1.985 -22.129 17.011 1.00 0.00 C ATOM 159 CD GLN A 42 2.348 -22.858 18.306 1.00 0.00 C ATOM 160 OE1 GLN A 42 2.215 -22.347 19.407 1.00 0.00 O ATOM 161 NE2 GLN A 42 2.792 -24.097 18.225 1.00 0.00 N ATOM 0 H GLN A 42 2.744 -21.113 14.597 1.00 0.00 H new ATOM 0 HA GLN A 42 0.641 -19.956 15.995 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.443 -20.543 16.970 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.055 -20.209 17.987 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.914 -22.226 16.835 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.491 -22.612 16.175 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.909 -24.538 17.313 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.019 -24.614 19.074 1.00 0.00 H new ATOM 170 N GLY A 43 3.329 -17.952 15.873 1.00 0.00 N ATOM 171 CA GLY A 43 3.745 -16.543 15.940 1.00 0.00 C ATOM 172 C GLY A 43 3.079 -15.645 14.879 1.00 0.00 C ATOM 173 O GLY A 43 2.781 -14.473 15.144 1.00 0.00 O ATOM 0 H GLY A 43 4.098 -18.604 15.717 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.512 -16.152 16.931 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.827 -16.488 15.822 1.00 0.00 H new ATOM 177 N LEU A 44 2.799 -16.203 13.693 1.00 0.00 N ATOM 178 CA LEU A 44 2.087 -15.542 12.601 1.00 0.00 C ATOM 179 C LEU A 44 0.680 -15.096 13.006 1.00 0.00 C ATOM 180 O LEU A 44 0.372 -13.899 13.008 1.00 0.00 O ATOM 181 CB LEU A 44 2.018 -16.455 11.364 1.00 0.00 C ATOM 182 CG LEU A 44 3.079 -16.104 10.309 1.00 0.00 C ATOM 183 CD1 LEU A 44 3.327 -17.300 9.397 1.00 0.00 C ATOM 184 CD2 LEU A 44 2.640 -14.900 9.459 1.00 0.00 C ATOM 0 H LEU A 44 3.073 -17.159 13.464 1.00 0.00 H new ATOM 0 HA LEU A 44 2.654 -14.645 12.354 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.149 -17.492 11.675 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.027 -16.379 10.916 1.00 0.00 H new ATOM 0 HG LEU A 44 3.998 -15.844 10.834 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.080 -17.040 8.653 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.679 -18.144 9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.399 -17.572 8.894 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.410 -14.675 8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.707 -15.136 8.948 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.491 -14.034 10.104 1.00 0.00 H new ATOM 196 N VAL A 45 -0.198 -16.058 13.302 1.00 0.00 N ATOM 197 CA VAL A 45 -1.584 -15.753 13.670 1.00 0.00 C ATOM 198 C VAL A 45 -1.695 -15.067 15.032 1.00 0.00 C ATOM 199 O VAL A 45 -2.617 -14.278 15.222 1.00 0.00 O ATOM 200 CB VAL A 45 -2.485 -16.990 13.542 1.00 0.00 C ATOM 201 CG1 VAL A 45 -2.139 -18.095 14.550 1.00 0.00 C ATOM 202 CG2 VAL A 45 -3.969 -16.608 13.653 1.00 0.00 C ATOM 0 H VAL A 45 0.025 -17.053 13.294 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.954 -15.023 12.951 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.297 -17.399 12.549 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.811 -18.941 14.408 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.110 -18.419 14.395 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.250 -17.710 15.564 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.583 -17.503 13.559 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.153 -16.142 14.621 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.225 -15.907 12.858 1.00 0.00 H new ATOM 212 N ASN A 46 -0.730 -15.293 15.935 1.00 0.00 N ATOM 213 CA ASN A 46 -0.609 -14.596 17.214 1.00 0.00 C ATOM 214 C ASN A 46 -0.538 -13.075 17.011 1.00 0.00 C ATOM 215 O ASN A 46 -1.461 -12.375 17.423 1.00 0.00 O ATOM 216 CB ASN A 46 0.598 -15.176 17.974 1.00 0.00 C ATOM 217 CG ASN A 46 0.872 -14.560 19.340 1.00 0.00 C ATOM 218 OD1 ASN A 46 0.022 -14.511 20.221 1.00 0.00 O ATOM 219 ND2 ASN A 46 2.104 -14.157 19.579 1.00 0.00 N ATOM 0 H ASN A 46 0.005 -15.985 15.788 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.497 -14.758 17.825 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.443 -16.247 18.103 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.487 -15.054 17.355 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.354 -13.802 20.502 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.807 -14.200 18.841 1.00 0.00 H new ATOM 226 N SER A 47 0.527 -12.568 16.366 1.00 0.00 N ATOM 227 CA SER A 47 0.775 -11.117 16.279 1.00 0.00 C ATOM 228 C SER A 47 1.485 -10.676 14.988 1.00 0.00 C ATOM 229 O SER A 47 2.327 -9.783 15.027 1.00 0.00 O ATOM 230 CB SER A 47 1.549 -10.617 17.514 1.00 0.00 C ATOM 231 OG SER A 47 0.900 -10.951 18.725 1.00 0.00 O ATOM 0 H SER A 47 1.229 -13.140 15.898 1.00 0.00 H new ATOM 0 HA SER A 47 -0.212 -10.655 16.253 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.551 -11.047 17.511 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.666 -9.535 17.453 1.00 0.00 H new ATOM 0 HG SER A 47 1.426 -10.616 19.481 1.00 0.00 H new ATOM 237 N THR A 48 1.149 -11.276 13.837 1.00 0.00 N ATOM 238 CA THR A 48 1.754 -10.928 12.537 1.00 0.00 C ATOM 239 C THR A 48 0.686 -10.695 11.468 1.00 0.00 C ATOM 240 O THR A 48 0.569 -9.586 10.946 1.00 0.00 O ATOM 241 CB THR A 48 2.747 -12.007 12.076 1.00 0.00 C ATOM 242 OG1 THR A 48 3.641 -12.379 13.103 1.00 0.00 O ATOM 243 CG2 THR A 48 3.571 -11.571 10.866 1.00 0.00 C ATOM 0 H THR A 48 0.450 -12.017 13.778 1.00 0.00 H new ATOM 0 HA THR A 48 2.303 -9.997 12.677 1.00 0.00 H new ATOM 0 HB THR A 48 2.127 -12.859 11.799 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.214 -13.043 13.683 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.255 -12.371 10.584 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.905 -11.352 10.032 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.142 -10.677 11.118 1.00 0.00 H new ATOM 251 N VAL A 49 -0.112 -11.726 11.146 1.00 0.00 N ATOM 252 CA VAL A 49 -1.170 -11.610 10.130 1.00 0.00 C ATOM 253 C VAL A 49 -2.276 -10.663 10.601 1.00 0.00 C ATOM 254 O VAL A 49 -2.724 -9.819 9.833 1.00 0.00 O ATOM 255 CB VAL A 49 -1.718 -12.992 9.707 1.00 0.00 C ATOM 256 CG1 VAL A 49 -2.747 -13.575 10.683 1.00 0.00 C ATOM 257 CG2 VAL A 49 -2.349 -12.921 8.311 1.00 0.00 C ATOM 0 H VAL A 49 -0.044 -12.649 11.575 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.728 -11.173 9.235 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.854 -13.657 9.707 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.085 -14.545 10.319 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.290 -13.695 11.665 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.599 -12.899 10.760 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.728 -13.904 8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.170 -12.204 8.319 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.598 -12.604 7.588 1.00 0.00 H new ATOM 267 N THR A 50 -2.670 -10.762 11.880 1.00 0.00 N ATOM 268 CA THR A 50 -3.733 -9.951 12.486 1.00 0.00 C ATOM 269 C THR A 50 -3.369 -8.461 12.484 1.00 0.00 C ATOM 270 O THR A 50 -4.202 -7.607 12.182 1.00 0.00 O ATOM 271 CB THR A 50 -4.078 -10.477 13.891 1.00 0.00 C ATOM 272 OG1 THR A 50 -5.335 -9.972 14.259 1.00 0.00 O ATOM 273 CG2 THR A 50 -3.068 -10.118 14.985 1.00 0.00 C ATOM 0 H THR A 50 -2.249 -11.422 12.534 1.00 0.00 H new ATOM 0 HA THR A 50 -4.633 -10.045 11.878 1.00 0.00 H new ATOM 0 HB THR A 50 -4.064 -11.564 13.817 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.570 -10.299 15.152 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.400 -10.533 15.937 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.092 -10.531 14.729 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.992 -9.034 15.069 1.00 0.00 H new ATOM 281 N GLN A 51 -2.088 -8.151 12.725 1.00 0.00 N ATOM 282 CA GLN A 51 -1.571 -6.787 12.742 1.00 0.00 C ATOM 283 C GLN A 51 -1.700 -6.109 11.368 1.00 0.00 C ATOM 284 O GLN A 51 -1.934 -4.902 11.303 1.00 0.00 O ATOM 285 CB GLN A 51 -0.110 -6.803 13.220 1.00 0.00 C ATOM 286 CG GLN A 51 0.336 -5.421 13.734 1.00 0.00 C ATOM 287 CD GLN A 51 1.843 -5.186 13.639 1.00 0.00 C ATOM 288 OE1 GLN A 51 2.648 -6.078 13.429 1.00 0.00 O ATOM 289 NE2 GLN A 51 2.279 -3.947 13.767 1.00 0.00 N ATOM 0 H GLN A 51 -1.376 -8.856 12.916 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.169 -6.197 13.437 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.005 -7.541 14.014 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.538 -7.113 12.400 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.180 -4.648 13.164 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.025 -5.312 14.773 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.619 -3.190 13.943 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.276 -3.747 13.690 1.00 0.00 H new ATOM 298 N ALA A 52 -1.594 -6.880 10.278 1.00 0.00 N ATOM 299 CA ALA A 52 -1.683 -6.370 8.913 1.00 0.00 C ATOM 300 C ALA A 52 -3.036 -5.691 8.644 1.00 0.00 C ATOM 301 O ALA A 52 -3.069 -4.564 8.145 1.00 0.00 O ATOM 302 CB ALA A 52 -1.422 -7.522 7.932 1.00 0.00 C ATOM 0 H ALA A 52 -1.442 -7.888 10.325 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.924 -5.601 8.771 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.486 -7.151 6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.427 -7.931 8.108 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.167 -8.303 8.082 1.00 0.00 H new ATOM 308 N ILE A 53 -4.145 -6.357 9.008 1.00 0.00 N ATOM 309 CA ILE A 53 -5.504 -5.818 8.849 1.00 0.00 C ATOM 310 C ILE A 53 -5.628 -4.491 9.605 1.00 0.00 C ATOM 311 O ILE A 53 -6.012 -3.482 9.015 1.00 0.00 O ATOM 312 CB ILE A 53 -6.590 -6.834 9.289 1.00 0.00 C ATOM 313 CG1 ILE A 53 -6.437 -8.205 8.582 1.00 0.00 C ATOM 314 CG2 ILE A 53 -7.993 -6.277 8.991 1.00 0.00 C ATOM 315 CD1 ILE A 53 -5.839 -9.258 9.515 1.00 0.00 C ATOM 0 H ILE A 53 -4.122 -7.289 9.423 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.675 -5.632 7.789 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.460 -6.986 10.361 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.411 -8.543 8.228 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.801 -8.093 7.704 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.746 -7.000 9.305 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.137 -5.344 9.535 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.091 -6.092 7.921 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.747 -10.205 8.983 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.854 -8.932 9.848 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.489 -9.389 10.380 1.00 0.00 H new ATOM 327 N LEU A 54 -5.249 -4.482 10.890 1.00 0.00 N ATOM 328 CA LEU A 54 -5.286 -3.298 11.756 1.00 0.00 C ATOM 329 C LEU A 54 -4.494 -2.138 11.138 1.00 0.00 C ATOM 330 O LEU A 54 -5.027 -1.035 11.002 1.00 0.00 O ATOM 331 CB LEU A 54 -4.713 -3.626 13.149 1.00 0.00 C ATOM 332 CG LEU A 54 -5.314 -4.855 13.862 1.00 0.00 C ATOM 333 CD1 LEU A 54 -4.394 -5.299 15.007 1.00 0.00 C ATOM 334 CD2 LEU A 54 -6.739 -4.610 14.376 1.00 0.00 C ATOM 0 H LEU A 54 -4.901 -5.315 11.365 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.329 -2.997 11.858 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.638 -3.779 13.050 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.853 -2.756 13.790 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.386 -5.652 13.122 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.826 -6.167 15.505 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.415 -5.560 14.606 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.287 -4.485 15.724 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.108 -5.510 14.868 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.732 -3.784 15.088 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.390 -4.361 13.538 1.00 0.00 H new ATOM 346 N PHE A 55 -3.231 -2.396 10.756 1.00 0.00 N ATOM 347 CA PHE A 55 -2.339 -1.411 10.145 1.00 0.00 C ATOM 348 C PHE A 55 -2.954 -0.823 8.873 1.00 0.00 C ATOM 349 O PHE A 55 -2.971 0.400 8.724 1.00 0.00 O ATOM 350 CB PHE A 55 -0.956 -2.023 9.864 1.00 0.00 C ATOM 351 CG PHE A 55 0.145 -0.992 9.665 1.00 0.00 C ATOM 352 CD1 PHE A 55 0.168 -0.171 8.519 1.00 0.00 C ATOM 353 CD2 PHE A 55 1.156 -0.842 10.636 1.00 0.00 C ATOM 354 CE1 PHE A 55 1.152 0.821 8.374 1.00 0.00 C ATOM 355 CE2 PHE A 55 2.161 0.128 10.474 1.00 0.00 C ATOM 356 CZ PHE A 55 2.151 0.972 9.349 1.00 0.00 C ATOM 0 H PHE A 55 -2.799 -3.313 10.868 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.205 -0.594 10.854 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.683 -2.676 10.693 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.020 -2.648 8.973 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.576 -0.306 7.748 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.159 -1.476 11.510 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.140 1.469 7.510 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.941 0.225 11.214 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.909 1.733 9.236 1.00 0.00 H new ATOM 366 N GLY A 56 -3.473 -1.676 7.979 1.00 0.00 N ATOM 367 CA GLY A 56 -4.141 -1.267 6.745 1.00 0.00 C ATOM 368 C GLY A 56 -5.366 -0.381 6.991 1.00 0.00 C ATOM 369 O GLY A 56 -5.517 0.641 6.323 1.00 0.00 O ATOM 0 H GLY A 56 -3.437 -2.688 8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.432 -0.730 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.447 -2.155 6.193 1.00 0.00 H new ATOM 373 N VAL A 57 -6.207 -0.734 7.974 1.00 0.00 N ATOM 374 CA VAL A 57 -7.405 0.036 8.354 1.00 0.00 C ATOM 375 C VAL A 57 -7.023 1.442 8.818 1.00 0.00 C ATOM 376 O VAL A 57 -7.436 2.429 8.201 1.00 0.00 O ATOM 377 CB VAL A 57 -8.221 -0.687 9.446 1.00 0.00 C ATOM 378 CG1 VAL A 57 -9.395 0.177 9.939 1.00 0.00 C ATOM 379 CG2 VAL A 57 -8.778 -2.034 8.963 1.00 0.00 C ATOM 0 H VAL A 57 -6.074 -1.574 8.537 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.033 0.120 7.467 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.524 -0.865 10.265 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.947 -0.364 10.707 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.011 1.108 10.356 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.059 0.399 9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.344 -2.503 9.768 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.432 -1.871 8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.954 -2.685 8.672 1.00 0.00 H new ATOM 389 N ARG A 58 -6.231 1.538 9.901 1.00 0.00 N ATOM 390 CA ARG A 58 -5.804 2.834 10.442 1.00 0.00 C ATOM 391 C ARG A 58 -5.060 3.657 9.390 1.00 0.00 C ATOM 392 O ARG A 58 -5.259 4.865 9.326 1.00 0.00 O ATOM 393 CB ARG A 58 -4.995 2.660 11.739 1.00 0.00 C ATOM 394 CG ARG A 58 -3.627 2.001 11.513 1.00 0.00 C ATOM 395 CD ARG A 58 -2.886 1.743 12.822 1.00 0.00 C ATOM 396 NE ARG A 58 -1.430 1.751 12.600 1.00 0.00 N ATOM 397 CZ ARG A 58 -0.506 2.028 13.508 1.00 0.00 C ATOM 398 NH1 ARG A 58 -0.819 2.165 14.778 1.00 0.00 N ATOM 399 NH2 ARG A 58 0.742 2.188 13.144 1.00 0.00 N ATOM 0 H ARG A 58 -5.876 0.732 10.416 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.697 3.400 10.706 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.849 3.636 12.203 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.571 2.056 12.441 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.763 1.058 10.983 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.019 2.641 10.874 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.152 2.505 13.554 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.191 0.782 13.237 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.103 1.522 11.661 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.788 2.058 15.079 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.093 2.378 15.462 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.002 2.099 12.162 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.454 2.401 13.843 1.00 0.00 H new ATOM 413 N SER A 59 -4.261 3.001 8.539 1.00 0.00 N ATOM 414 CA SER A 59 -3.534 3.636 7.440 1.00 0.00 C ATOM 415 C SER A 59 -4.485 4.230 6.416 1.00 0.00 C ATOM 416 O SER A 59 -4.378 5.418 6.148 1.00 0.00 O ATOM 417 CB SER A 59 -2.584 2.662 6.748 1.00 0.00 C ATOM 418 OG SER A 59 -1.596 2.284 7.672 1.00 0.00 O ATOM 0 H SER A 59 -4.101 1.995 8.599 1.00 0.00 H new ATOM 0 HA SER A 59 -2.944 4.438 7.883 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.128 1.787 6.394 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.129 3.130 5.875 1.00 0.00 H new ATOM 0 HG SER A 59 -1.745 1.356 7.949 1.00 0.00 H new ATOM 424 N GLY A 60 -5.425 3.448 5.869 1.00 0.00 N ATOM 425 CA GLY A 60 -6.398 3.935 4.892 1.00 0.00 C ATOM 426 C GLY A 60 -7.214 5.123 5.411 1.00 0.00 C ATOM 427 O GLY A 60 -7.385 6.111 4.693 1.00 0.00 O ATOM 0 H GLY A 60 -5.529 2.459 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.876 4.228 3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.075 3.124 4.624 1.00 0.00 H new ATOM 431 N ALA A 61 -7.693 5.048 6.660 1.00 0.00 N ATOM 432 CA ALA A 61 -8.435 6.138 7.290 1.00 0.00 C ATOM 433 C ALA A 61 -7.556 7.379 7.533 1.00 0.00 C ATOM 434 O ALA A 61 -7.909 8.473 7.082 1.00 0.00 O ATOM 435 CB ALA A 61 -9.076 5.630 8.585 1.00 0.00 C ATOM 0 H ALA A 61 -7.575 4.230 7.258 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.221 6.462 6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.631 6.440 9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.756 4.809 8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.298 5.279 9.263 1.00 0.00 H new ATOM 441 N ALA A 62 -6.415 7.218 8.222 1.00 0.00 N ATOM 442 CA ALA A 62 -5.475 8.304 8.509 1.00 0.00 C ATOM 443 C ALA A 62 -4.928 8.952 7.225 1.00 0.00 C ATOM 444 O ALA A 62 -4.786 10.173 7.162 1.00 0.00 O ATOM 445 CB ALA A 62 -4.341 7.792 9.402 1.00 0.00 C ATOM 0 H ALA A 62 -6.119 6.317 8.598 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.017 9.085 9.043 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.646 8.606 9.611 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.755 7.420 10.339 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.813 6.986 8.893 1.00 0.00 H new ATOM 451 N ALA A 63 -4.679 8.152 6.182 1.00 0.00 N ATOM 452 CA ALA A 63 -4.331 8.623 4.850 1.00 0.00 C ATOM 453 C ALA A 63 -5.426 9.533 4.291 1.00 0.00 C ATOM 454 O ALA A 63 -5.147 10.689 3.981 1.00 0.00 O ATOM 455 CB ALA A 63 -4.031 7.435 3.932 1.00 0.00 C ATOM 0 H ALA A 63 -4.717 7.135 6.250 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.425 9.226 4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.772 7.800 2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.196 6.863 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.911 6.795 3.866 1.00 0.00 H new ATOM 461 N LEU A 64 -6.670 9.048 4.186 1.00 0.00 N ATOM 462 CA LEU A 64 -7.787 9.830 3.649 1.00 0.00 C ATOM 463 C LEU A 64 -7.942 11.188 4.344 1.00 0.00 C ATOM 464 O LEU A 64 -8.017 12.211 3.662 1.00 0.00 O ATOM 465 CB LEU A 64 -9.069 8.985 3.701 1.00 0.00 C ATOM 466 CG LEU A 64 -10.363 9.787 3.420 1.00 0.00 C ATOM 467 CD1 LEU A 64 -11.323 8.951 2.576 1.00 0.00 C ATOM 468 CD2 LEU A 64 -11.062 10.222 4.720 1.00 0.00 C ATOM 0 H LEU A 64 -6.928 8.103 4.471 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.575 10.072 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.989 8.177 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.147 8.522 4.685 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.079 10.687 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.231 9.523 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.847 8.696 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.577 8.037 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.965 10.782 4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.327 9.340 5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.389 10.853 5.301 1.00 0.00 H new ATOM 480 N THR A 65 -7.982 11.210 5.682 1.00 0.00 N ATOM 481 CA THR A 65 -8.110 12.476 6.418 1.00 0.00 C ATOM 482 C THR A 65 -6.936 13.426 6.135 1.00 0.00 C ATOM 483 O THR A 65 -7.160 14.608 5.877 1.00 0.00 O ATOM 484 CB THR A 65 -8.371 12.259 7.914 1.00 0.00 C ATOM 485 OG1 THR A 65 -8.651 13.493 8.528 1.00 0.00 O ATOM 486 CG2 THR A 65 -7.226 11.565 8.640 1.00 0.00 C ATOM 0 H THR A 65 -7.929 10.379 6.271 1.00 0.00 H new ATOM 0 HA THR A 65 -9.000 12.978 6.039 1.00 0.00 H new ATOM 0 HB THR A 65 -9.229 11.591 7.988 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.819 13.352 9.483 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.482 11.446 9.693 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.054 10.585 8.195 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.322 12.167 8.552 1.00 0.00 H new ATOM 494 N LEU A 66 -5.690 12.930 6.065 1.00 0.00 N ATOM 495 CA LEU A 66 -4.541 13.778 5.718 1.00 0.00 C ATOM 496 C LEU A 66 -4.659 14.345 4.289 1.00 0.00 C ATOM 497 O LEU A 66 -4.312 15.506 4.063 1.00 0.00 O ATOM 498 CB LEU A 66 -3.215 13.029 5.997 1.00 0.00 C ATOM 499 CG LEU A 66 -2.474 12.473 4.762 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.571 13.531 4.106 1.00 0.00 C ATOM 501 CD2 LEU A 66 -1.664 11.228 5.109 1.00 0.00 C ATOM 0 H LEU A 66 -5.455 11.954 6.243 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.539 14.656 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.543 13.707 6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.425 12.200 6.673 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.241 12.194 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.070 13.096 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.177 14.378 3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.825 13.870 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.156 10.864 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.925 11.475 5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.331 10.454 5.488 1.00 0.00 H new ATOM 513 N ILE A 67 -5.161 13.541 3.337 1.00 0.00 N ATOM 514 CA ILE A 67 -5.322 13.932 1.934 1.00 0.00 C ATOM 515 C ILE A 67 -6.246 15.148 1.864 1.00 0.00 C ATOM 516 O ILE A 67 -5.837 16.193 1.358 1.00 0.00 O ATOM 517 CB ILE A 67 -5.828 12.744 1.079 1.00 0.00 C ATOM 518 CG1 ILE A 67 -4.761 11.636 0.932 1.00 0.00 C ATOM 519 CG2 ILE A 67 -6.261 13.200 -0.326 1.00 0.00 C ATOM 520 CD1 ILE A 67 -5.386 10.247 0.717 1.00 0.00 C ATOM 0 H ILE A 67 -5.470 12.588 3.527 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.357 14.212 1.512 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.688 12.339 1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.109 11.872 0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.136 11.616 1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.610 12.339 -0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.067 13.929 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.413 13.655 -0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.595 9.503 0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.017 9.996 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.989 10.256 -0.191 1.00 0.00 H new ATOM 532 N VAL A 68 -7.464 15.040 2.416 1.00 0.00 N ATOM 533 CA VAL A 68 -8.409 16.167 2.459 1.00 0.00 C ATOM 534 C VAL A 68 -7.831 17.364 3.217 1.00 0.00 C ATOM 535 O VAL A 68 -7.928 18.478 2.709 1.00 0.00 O ATOM 536 CB VAL A 68 -9.809 15.783 2.978 1.00 0.00 C ATOM 537 CG1 VAL A 68 -10.477 14.785 2.022 1.00 0.00 C ATOM 538 CG2 VAL A 68 -9.802 15.201 4.390 1.00 0.00 C ATOM 0 H VAL A 68 -7.818 14.182 2.839 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.554 16.468 1.421 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.377 16.713 3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.465 14.523 2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.576 15.237 1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.866 13.885 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.821 14.955 4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.191 14.299 4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.389 15.934 5.083 1.00 0.00 H new ATOM 548 N VAL A 69 -7.163 17.152 4.362 1.00 0.00 N ATOM 549 CA VAL A 69 -6.502 18.224 5.124 1.00 0.00 C ATOM 550 C VAL A 69 -5.536 19.003 4.232 1.00 0.00 C ATOM 551 O VAL A 69 -5.601 20.229 4.194 1.00 0.00 O ATOM 552 CB VAL A 69 -5.795 17.673 6.381 1.00 0.00 C ATOM 553 CG1 VAL A 69 -4.847 18.698 7.023 1.00 0.00 C ATOM 554 CG2 VAL A 69 -6.811 17.234 7.444 1.00 0.00 C ATOM 0 H VAL A 69 -7.066 16.230 4.787 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.271 18.915 5.469 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.212 16.818 6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.377 18.258 7.902 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.078 18.982 6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.413 19.582 7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.282 16.851 8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.423 18.087 7.736 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.450 16.452 7.035 1.00 0.00 H new ATOM 564 N TRP A 70 -4.660 18.330 3.480 1.00 0.00 N ATOM 565 CA TRP A 70 -3.783 19.034 2.547 1.00 0.00 C ATOM 566 C TRP A 70 -4.529 19.633 1.335 1.00 0.00 C ATOM 567 O TRP A 70 -4.106 20.670 0.832 1.00 0.00 O ATOM 568 CB TRP A 70 -2.616 18.139 2.132 1.00 0.00 C ATOM 569 CG TRP A 70 -1.747 18.730 1.064 1.00 0.00 C ATOM 570 CD1 TRP A 70 -0.680 19.545 1.240 1.00 0.00 C ATOM 571 CD2 TRP A 70 -1.943 18.636 -0.376 1.00 0.00 C ATOM 572 NE1 TRP A 70 -0.164 19.898 0.007 1.00 0.00 N ATOM 573 CE2 TRP A 70 -0.928 19.395 -1.025 1.00 0.00 C ATOM 574 CE3 TRP A 70 -2.909 18.011 -1.191 1.00 0.00 C ATOM 575 CZ2 TRP A 70 -0.862 19.513 -2.421 1.00 0.00 C ATOM 576 CZ3 TRP A 70 -2.869 18.140 -2.590 1.00 0.00 C ATOM 577 CH2 TRP A 70 -1.844 18.882 -3.206 1.00 0.00 C ATOM 0 H TRP A 70 -4.542 17.317 3.499 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.378 19.896 3.077 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.004 17.927 3.009 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.010 17.185 1.780 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -0.293 19.869 2.195 1.00 0.00 H new ATOM 0 HE1 TRP A 70 0.677 20.460 -0.123 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.692 17.424 -0.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.069 20.080 -2.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -3.628 17.667 -3.195 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.811 18.967 -4.282 1.00 0.00 H new ATOM 588 N ILE A 71 -5.646 19.052 0.882 1.00 0.00 N ATOM 589 CA ILE A 71 -6.447 19.614 -0.221 1.00 0.00 C ATOM 590 C ILE A 71 -7.103 20.948 0.172 1.00 0.00 C ATOM 591 O ILE A 71 -7.086 21.888 -0.620 1.00 0.00 O ATOM 592 CB ILE A 71 -7.497 18.592 -0.715 1.00 0.00 C ATOM 593 CG1 ILE A 71 -6.818 17.424 -1.462 1.00 0.00 C ATOM 594 CG2 ILE A 71 -8.537 19.242 -1.649 1.00 0.00 C ATOM 595 CD1 ILE A 71 -7.673 16.152 -1.470 1.00 0.00 C ATOM 0 H ILE A 71 -6.022 18.184 1.264 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.768 19.825 -1.047 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.008 18.217 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.612 17.725 -2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.857 17.208 -0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.256 18.489 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.059 20.036 -1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.033 19.661 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.147 15.364 -2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.857 15.831 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.624 16.356 -1.963 1.00 0.00 H new ATOM 607 N THR A 72 -7.708 21.030 1.365 1.00 0.00 N ATOM 608 CA THR A 72 -8.403 22.240 1.837 1.00 0.00 C ATOM 609 C THR A 72 -7.493 23.169 2.651 1.00 0.00 C ATOM 610 O THR A 72 -7.400 24.354 2.340 1.00 0.00 O ATOM 611 CB THR A 72 -9.716 21.895 2.572 1.00 0.00 C ATOM 612 OG1 THR A 72 -10.278 23.050 3.147 1.00 0.00 O ATOM 613 CG2 THR A 72 -9.622 20.805 3.645 1.00 0.00 C ATOM 0 H THR A 72 -7.730 20.259 2.032 1.00 0.00 H new ATOM 0 HA THR A 72 -8.680 22.808 0.949 1.00 0.00 H new ATOM 0 HB THR A 72 -10.351 21.482 1.788 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.110 22.814 3.608 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.604 20.649 4.092 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.278 19.876 3.191 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.917 21.114 4.417 1.00 0.00 H new ATOM 621 N SER A 73 -6.838 22.659 3.699 1.00 0.00 N ATOM 622 CA SER A 73 -6.001 23.445 4.614 1.00 0.00 C ATOM 623 C SER A 73 -4.594 23.661 4.052 1.00 0.00 C ATOM 624 O SER A 73 -4.023 24.733 4.235 1.00 0.00 O ATOM 625 CB SER A 73 -5.872 22.750 5.980 1.00 0.00 C ATOM 626 OG SER A 73 -7.105 22.214 6.427 1.00 0.00 O ATOM 0 H SER A 73 -6.875 21.669 3.941 1.00 0.00 H new ATOM 0 HA SER A 73 -6.495 24.410 4.731 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.134 21.951 5.911 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.500 23.464 6.715 1.00 0.00 H new ATOM 0 HG SER A 73 -6.977 21.781 7.297 1.00 0.00 H new ATOM 632 N ARG A 74 -4.049 22.646 3.359 1.00 0.00 N ATOM 633 CA ARG A 74 -2.721 22.639 2.723 1.00 0.00 C ATOM 634 C ARG A 74 -1.605 22.928 3.735 1.00 0.00 C ATOM 635 O ARG A 74 -0.984 23.990 3.746 1.00 0.00 O ATOM 636 CB ARG A 74 -2.753 23.559 1.480 1.00 0.00 C ATOM 637 CG ARG A 74 -1.750 23.206 0.368 1.00 0.00 C ATOM 638 CD ARG A 74 -0.297 23.264 0.847 1.00 0.00 C ATOM 639 NE ARG A 74 0.663 23.493 -0.246 1.00 0.00 N ATOM 640 CZ ARG A 74 1.952 23.750 -0.070 1.00 0.00 C ATOM 641 NH1 ARG A 74 2.508 23.619 1.114 1.00 0.00 N ATOM 642 NH2 ARG A 74 2.708 24.124 -1.077 1.00 0.00 N ATOM 0 H ARG A 74 -4.547 21.766 3.221 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.474 21.642 2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.758 23.537 1.059 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.565 24.583 1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.966 22.205 -0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.881 23.894 -0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.195 24.060 1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.049 22.330 1.350 1.00 0.00 H new ATOM 0 HE ARG A 74 0.313 23.451 -1.203 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.947 23.317 1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.501 23.820 1.236 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.305 24.220 -2.009 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.698 24.318 -0.927 1.00 0.00 H new ATOM 656 N SER A 75 -1.294 21.934 4.572 1.00 0.00 N ATOM 657 CA SER A 75 -0.163 22.040 5.496 1.00 0.00 C ATOM 658 C SER A 75 1.172 22.066 4.730 1.00 0.00 C ATOM 659 O SER A 75 1.416 21.251 3.828 1.00 0.00 O ATOM 660 CB SER A 75 -0.216 20.950 6.581 1.00 0.00 C ATOM 661 OG SER A 75 0.944 20.143 6.593 1.00 0.00 O ATOM 0 H SER A 75 -1.806 21.053 4.628 1.00 0.00 H new ATOM 0 HA SER A 75 -0.238 22.991 6.023 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.339 21.419 7.557 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.091 20.321 6.417 1.00 0.00 H new ATOM 0 HG SER A 75 0.865 19.467 7.298 1.00 0.00 H new ATOM 667 N ARG A 76 2.048 23.005 5.116 1.00 0.00 N ATOM 668 CA ARG A 76 3.432 23.114 4.629 1.00 0.00 C ATOM 669 C ARG A 76 4.351 21.994 5.139 1.00 0.00 C ATOM 670 O ARG A 76 5.320 21.651 4.467 1.00 0.00 O ATOM 671 CB ARG A 76 3.975 24.511 4.987 1.00 0.00 C ATOM 672 CG ARG A 76 5.188 24.900 4.128 1.00 0.00 C ATOM 673 CD ARG A 76 5.372 26.423 4.103 1.00 0.00 C ATOM 674 NE ARG A 76 6.308 26.838 3.045 1.00 0.00 N ATOM 675 CZ ARG A 76 6.678 28.083 2.769 1.00 0.00 C ATOM 676 NH1 ARG A 76 6.284 29.102 3.497 1.00 0.00 N ATOM 677 NH2 ARG A 76 7.461 28.320 1.743 1.00 0.00 N ATOM 0 H ARG A 76 1.808 23.729 5.793 1.00 0.00 H new ATOM 0 HA ARG A 76 3.420 22.989 3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.186 25.251 4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.256 24.531 6.040 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.087 24.427 4.524 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.054 24.529 3.112 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.407 26.904 3.945 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.742 26.761 5.071 1.00 0.00 H new ATOM 0 HE ARG A 76 6.711 26.099 2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.676 28.949 4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.586 30.046 3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.784 27.549 1.159 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.746 29.276 1.529 1.00 0.00 H new ATOM 691 N LYS A 77 4.014 21.390 6.285 1.00 0.00 N ATOM 692 CA LYS A 77 4.700 20.244 6.897 1.00 0.00 C ATOM 693 C LYS A 77 4.151 18.924 6.336 1.00 0.00 C ATOM 694 O LYS A 77 3.675 18.069 7.077 1.00 0.00 O ATOM 695 CB LYS A 77 4.593 20.349 8.437 1.00 0.00 C ATOM 696 CG LYS A 77 5.687 21.257 9.023 1.00 0.00 C ATOM 697 CD LYS A 77 7.036 20.531 9.193 1.00 0.00 C ATOM 698 CE LYS A 77 7.118 19.796 10.541 1.00 0.00 C ATOM 699 NZ LYS A 77 8.482 19.263 10.791 1.00 0.00 N ATOM 0 H LYS A 77 3.216 21.702 6.838 1.00 0.00 H new ATOM 0 HA LYS A 77 5.760 20.258 6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.612 20.740 8.708 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.672 19.354 8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.824 22.121 8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.359 21.636 9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.171 19.817 8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.850 21.253 9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.840 20.477 11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.399 18.977 10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.501 18.774 11.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.737 18.594 10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.164 20.048 10.803 1.00 0.00 H new ATOM 713 N THR A 78 4.218 18.760 5.010 1.00 0.00 N ATOM 714 CA THR A 78 3.784 17.549 4.305 1.00 0.00 C ATOM 715 C THR A 78 4.977 16.647 3.956 1.00 0.00 C ATOM 716 O THR A 78 5.709 16.949 3.013 1.00 0.00 O ATOM 717 CB THR A 78 2.925 17.846 3.058 1.00 0.00 C ATOM 718 OG1 THR A 78 3.095 19.152 2.538 1.00 0.00 O ATOM 719 CG2 THR A 78 1.453 17.673 3.422 1.00 0.00 C ATOM 0 H THR A 78 4.582 19.479 4.385 1.00 0.00 H new ATOM 0 HA THR A 78 3.139 17.010 4.999 1.00 0.00 H new ATOM 0 HB THR A 78 3.251 17.147 2.288 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.519 19.776 3.027 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.835 17.880 2.548 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.278 16.650 3.755 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.192 18.365 4.223 1.00 0.00 H new ATOM 727 N PRO A 79 5.202 15.543 4.700 1.00 0.00 N ATOM 728 CA PRO A 79 6.276 14.594 4.416 1.00 0.00 C ATOM 729 C PRO A 79 6.039 13.856 3.089 1.00 0.00 C ATOM 730 O PRO A 79 5.122 13.041 2.976 1.00 0.00 O ATOM 731 CB PRO A 79 6.328 13.642 5.620 1.00 0.00 C ATOM 732 CG PRO A 79 4.934 13.732 6.234 1.00 0.00 C ATOM 733 CD PRO A 79 4.455 15.130 5.883 1.00 0.00 C ATOM 0 HA PRO A 79 7.234 15.098 4.287 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.561 12.623 5.311 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.096 13.943 6.332 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.270 12.970 5.825 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.965 13.582 7.313 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.383 15.134 5.685 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.629 15.818 6.710 1.00 0.00 H new ATOM 849 N VAL A 86 0.825 7.065 0.189 1.00 0.00 N ATOM 850 CA VAL A 86 -0.623 7.205 -0.004 1.00 0.00 C ATOM 851 C VAL A 86 -0.978 7.312 -1.485 1.00 0.00 C ATOM 852 O VAL A 86 -1.911 6.641 -1.907 1.00 0.00 O ATOM 853 CB VAL A 86 -1.233 8.369 0.805 1.00 0.00 C ATOM 854 CG1 VAL A 86 -0.937 8.185 2.298 1.00 0.00 C ATOM 855 CG2 VAL A 86 -0.783 9.756 0.332 1.00 0.00 C ATOM 0 HA VAL A 86 -1.072 6.293 0.389 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.309 8.332 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.372 9.012 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.370 7.245 2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.141 8.167 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.254 10.521 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.301 9.836 0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.075 9.898 -0.708 1.00 0.00 H new ATOM 865 N SER A 87 -0.221 8.083 -2.283 1.00 0.00 N ATOM 866 CA SER A 87 -0.416 8.210 -3.733 1.00 0.00 C ATOM 867 C SER A 87 -0.439 6.840 -4.408 1.00 0.00 C ATOM 868 O SER A 87 -1.453 6.463 -4.999 1.00 0.00 O ATOM 869 CB SER A 87 0.680 9.099 -4.336 1.00 0.00 C ATOM 870 OG SER A 87 0.616 9.115 -5.746 1.00 0.00 O ATOM 0 H SER A 87 0.555 8.643 -1.931 1.00 0.00 H new ATOM 0 HA SER A 87 -1.383 8.680 -3.910 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.577 10.115 -3.955 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.658 8.738 -4.019 1.00 0.00 H new ATOM 0 HG SER A 87 1.326 9.691 -6.099 1.00 0.00 H new ATOM 876 N LEU A 88 0.646 6.065 -4.267 1.00 0.00 N ATOM 877 CA LEU A 88 0.707 4.704 -4.792 1.00 0.00 C ATOM 878 C LEU A 88 -0.480 3.877 -4.303 1.00 0.00 C ATOM 879 O LEU A 88 -1.202 3.321 -5.130 1.00 0.00 O ATOM 880 CB LEU A 88 2.049 4.054 -4.414 1.00 0.00 C ATOM 881 CG LEU A 88 3.182 4.436 -5.383 1.00 0.00 C ATOM 882 CD1 LEU A 88 4.537 4.149 -4.735 1.00 0.00 C ATOM 883 CD2 LEU A 88 3.089 3.638 -6.692 1.00 0.00 C ATOM 0 H LEU A 88 1.496 6.365 -3.790 1.00 0.00 H new ATOM 0 HA LEU A 88 0.644 4.742 -5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.323 4.355 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.934 2.970 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 88 3.083 5.498 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.335 4.421 -5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.634 4.733 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.609 3.088 -4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.903 3.931 -7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.163 2.572 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.135 3.844 -7.176 1.00 0.00 H new ATOM 895 N PHE A 89 -0.714 3.833 -2.985 1.00 0.00 N ATOM 896 CA PHE A 89 -1.809 3.063 -2.399 1.00 0.00 C ATOM 897 C PHE A 89 -3.177 3.418 -3.006 1.00 0.00 C ATOM 898 O PHE A 89 -3.917 2.509 -3.371 1.00 0.00 O ATOM 899 CB PHE A 89 -1.794 3.217 -0.873 1.00 0.00 C ATOM 900 CG PHE A 89 -2.510 2.093 -0.152 1.00 0.00 C ATOM 901 CD1 PHE A 89 -1.892 0.831 -0.056 1.00 0.00 C ATOM 902 CD2 PHE A 89 -3.785 2.292 0.412 1.00 0.00 C ATOM 903 CE1 PHE A 89 -2.545 -0.229 0.595 1.00 0.00 C ATOM 904 CE2 PHE A 89 -4.435 1.233 1.071 1.00 0.00 C ATOM 905 CZ PHE A 89 -3.817 -0.028 1.160 1.00 0.00 C ATOM 0 H PHE A 89 -0.147 4.331 -2.299 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.650 2.013 -2.643 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.761 3.260 -0.529 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.259 4.166 -0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.913 0.678 -0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.263 3.257 0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.071 -1.197 0.661 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.410 1.388 1.509 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.320 -0.841 1.662 1.00 0.00 H new ATOM 915 N LEU A 90 -3.482 4.713 -3.181 1.00 0.00 N ATOM 916 CA LEU A 90 -4.700 5.220 -3.824 1.00 0.00 C ATOM 917 C LEU A 90 -4.875 4.664 -5.247 1.00 0.00 C ATOM 918 O LEU A 90 -5.922 4.091 -5.556 1.00 0.00 O ATOM 919 CB LEU A 90 -4.673 6.762 -3.868 1.00 0.00 C ATOM 920 CG LEU A 90 -4.923 7.510 -2.545 1.00 0.00 C ATOM 921 CD1 LEU A 90 -4.552 8.991 -2.743 1.00 0.00 C ATOM 922 CD2 LEU A 90 -6.379 7.385 -2.093 1.00 0.00 C ATOM 0 H LEU A 90 -2.864 5.461 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.548 4.882 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.701 7.072 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.421 7.092 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.305 7.065 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.723 9.536 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.501 9.069 -3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.169 9.418 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.517 7.925 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.034 7.807 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.625 6.334 -1.945 1.00 0.00 H new ATOM 934 N ILE A 91 -3.866 4.835 -6.114 1.00 0.00 N ATOM 935 CA ILE A 91 -3.937 4.349 -7.501 1.00 0.00 C ATOM 936 C ILE A 91 -4.027 2.820 -7.547 1.00 0.00 C ATOM 937 O ILE A 91 -4.886 2.288 -8.251 1.00 0.00 O ATOM 938 CB ILE A 91 -2.748 4.857 -8.345 1.00 0.00 C ATOM 939 CG1 ILE A 91 -2.774 6.402 -8.490 1.00 0.00 C ATOM 940 CG2 ILE A 91 -2.776 4.206 -9.743 1.00 0.00 C ATOM 941 CD1 ILE A 91 -1.525 7.111 -7.945 1.00 0.00 C ATOM 0 H ILE A 91 -2.992 5.306 -5.880 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.848 4.755 -7.940 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.830 4.578 -7.828 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.889 6.654 -9.544 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.652 6.789 -7.972 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.934 4.570 -10.331 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.706 3.123 -9.641 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.708 4.464 -10.246 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.627 8.187 -8.086 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.418 6.893 -6.882 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.643 6.757 -8.479 1.00 0.00 H new ATOM 953 N ILE A 92 -3.159 2.119 -6.806 1.00 0.00 N ATOM 954 CA ILE A 92 -3.131 0.653 -6.747 1.00 0.00 C ATOM 955 C ILE A 92 -4.500 0.116 -6.311 1.00 0.00 C ATOM 956 O ILE A 92 -5.038 -0.772 -6.975 1.00 0.00 O ATOM 957 CB ILE A 92 -1.984 0.162 -5.832 1.00 0.00 C ATOM 958 CG1 ILE A 92 -0.597 0.548 -6.403 1.00 0.00 C ATOM 959 CG2 ILE A 92 -2.051 -1.367 -5.658 1.00 0.00 C ATOM 960 CD1 ILE A 92 0.503 0.551 -5.330 1.00 0.00 C ATOM 0 H ILE A 92 -2.448 2.560 -6.223 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.928 0.258 -7.742 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.110 0.648 -4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.326 -0.151 -7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.658 1.536 -6.859 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.237 -1.696 -5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.005 -1.640 -5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.958 -1.848 -6.632 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.454 0.828 -5.785 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.250 1.270 -4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.587 -0.444 -4.892 1.00 0.00 H new ATOM 972 N LEU A 93 -5.091 0.704 -5.257 1.00 0.00 N ATOM 973 CA LEU A 93 -6.457 0.432 -4.810 1.00 0.00 C ATOM 974 C LEU A 93 -7.454 0.592 -5.960 1.00 0.00 C ATOM 975 O LEU A 93 -8.165 -0.362 -6.275 1.00 0.00 O ATOM 976 CB LEU A 93 -6.794 1.328 -3.596 1.00 0.00 C ATOM 977 CG LEU A 93 -8.293 1.531 -3.292 1.00 0.00 C ATOM 978 CD1 LEU A 93 -9.059 0.217 -3.086 1.00 0.00 C ATOM 979 CD2 LEU A 93 -8.450 2.435 -2.066 1.00 0.00 C ATOM 0 H LEU A 93 -4.615 1.399 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.534 -0.606 -4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.321 0.900 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.342 2.307 -3.757 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.733 2.004 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.106 0.435 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.989 -0.391 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.627 -0.328 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.509 2.578 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -7.966 1.970 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.987 3.401 -2.265 1.00 0.00 H new ATOM 991 N HIS A 94 -7.515 1.777 -6.585 1.00 0.00 N ATOM 992 CA HIS A 94 -8.481 2.050 -7.652 1.00 0.00 C ATOM 993 C HIS A 94 -8.325 1.062 -8.817 1.00 0.00 C ATOM 994 O HIS A 94 -9.302 0.457 -9.256 1.00 0.00 O ATOM 995 CB HIS A 94 -8.374 3.512 -8.116 1.00 0.00 C ATOM 996 CG HIS A 94 -9.630 4.042 -8.776 1.00 0.00 C ATOM 997 ND1 HIS A 94 -10.282 5.202 -8.417 1.00 0.00 N ATOM 998 CD2 HIS A 94 -10.328 3.491 -9.820 1.00 0.00 C ATOM 999 CE1 HIS A 94 -11.350 5.338 -9.221 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -11.421 4.319 -10.090 1.00 0.00 N ATOM 0 H HIS A 94 -6.903 2.563 -6.366 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.484 1.904 -7.251 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.135 4.139 -7.257 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.543 3.601 -8.816 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.077 2.579 -10.341 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.054 6.155 -9.174 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.133 4.176 -10.807 1.00 0.00 H new ATOM 1008 N SER A 95 -7.093 0.861 -9.294 1.00 0.00 N ATOM 1009 CA SER A 95 -6.776 -0.040 -10.405 1.00 0.00 C ATOM 1010 C SER A 95 -7.178 -1.493 -10.100 1.00 0.00 C ATOM 1011 O SER A 95 -7.868 -2.132 -10.899 1.00 0.00 O ATOM 1012 CB SER A 95 -5.282 0.072 -10.726 1.00 0.00 C ATOM 1013 OG SER A 95 -5.036 -0.289 -12.069 1.00 0.00 O ATOM 0 H SER A 95 -6.272 1.330 -8.911 1.00 0.00 H new ATOM 0 HA SER A 95 -7.357 0.260 -11.277 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.942 1.092 -10.549 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.711 -0.574 -10.059 1.00 0.00 H new ATOM 0 HG SER A 95 -4.078 -0.211 -12.259 1.00 0.00 H new ATOM 1019 N ALA A 96 -6.812 -2.000 -8.912 1.00 0.00 N ATOM 1020 CA ALA A 96 -7.229 -3.316 -8.430 1.00 0.00 C ATOM 1021 C ALA A 96 -8.759 -3.447 -8.353 1.00 0.00 C ATOM 1022 O ALA A 96 -9.307 -4.434 -8.851 1.00 0.00 O ATOM 1023 CB ALA A 96 -6.573 -3.592 -7.071 1.00 0.00 C ATOM 0 H ALA A 96 -6.212 -1.499 -8.257 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.895 -4.066 -9.147 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.883 -4.573 -6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.489 -3.571 -7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.881 -2.829 -6.357 1.00 0.00 H new ATOM 1029 N LEU A 97 -9.453 -2.451 -7.774 1.00 0.00 N ATOM 1030 CA LEU A 97 -10.918 -2.415 -7.740 1.00 0.00 C ATOM 1031 C LEU A 97 -11.501 -2.471 -9.160 1.00 0.00 C ATOM 1032 O LEU A 97 -12.491 -3.164 -9.384 1.00 0.00 O ATOM 1033 CB LEU A 97 -11.432 -1.222 -6.880 1.00 0.00 C ATOM 1034 CG LEU A 97 -12.176 -0.084 -7.620 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -13.643 -0.453 -7.906 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -12.115 1.255 -6.870 1.00 0.00 C ATOM 0 H LEU A 97 -9.011 -1.652 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 97 -11.286 -3.310 -7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -12.099 -1.620 -6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.577 -0.786 -6.362 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.651 0.041 -8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -14.131 0.371 -8.426 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.679 -1.347 -8.529 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.160 -0.645 -6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -12.654 2.014 -7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -12.573 1.143 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -11.075 1.559 -6.753 1.00 0.00 H new ATOM 1048 N TYR A 98 -10.882 -1.782 -10.121 1.00 0.00 N ATOM 1049 CA TYR A 98 -11.367 -1.730 -11.492 1.00 0.00 C ATOM 1050 C TYR A 98 -11.327 -3.117 -12.134 1.00 0.00 C ATOM 1051 O TYR A 98 -12.356 -3.610 -12.595 1.00 0.00 O ATOM 1052 CB TYR A 98 -10.575 -0.684 -12.294 1.00 0.00 C ATOM 1053 CG TYR A 98 -11.407 -0.016 -13.367 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -12.535 0.737 -12.987 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -11.067 -0.139 -14.728 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -13.347 1.336 -13.964 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -11.875 0.464 -15.711 1.00 0.00 C ATOM 1058 CZ TYR A 98 -13.028 1.189 -15.330 1.00 0.00 C ATOM 1059 OH TYR A 98 -13.855 1.719 -16.271 1.00 0.00 O ATOM 0 H TYR A 98 -10.029 -1.245 -9.965 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.411 -1.416 -11.493 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.191 0.075 -11.613 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.712 -1.164 -12.756 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.776 0.854 -11.941 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.188 -0.695 -15.017 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.214 1.908 -13.670 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.614 0.373 -16.755 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.496 1.533 -17.164 1.00 0.00 H new ATOM 1069 N PHE A 99 -10.167 -3.787 -12.087 1.00 0.00 N ATOM 1070 CA PHE A 99 -10.043 -5.157 -12.577 1.00 0.00 C ATOM 1071 C PHE A 99 -11.017 -6.109 -11.870 1.00 0.00 C ATOM 1072 O PHE A 99 -11.717 -6.861 -12.550 1.00 0.00 O ATOM 1073 CB PHE A 99 -8.591 -5.639 -12.457 1.00 0.00 C ATOM 1074 CG PHE A 99 -8.388 -7.088 -12.872 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -8.858 -7.547 -14.120 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -7.757 -7.992 -11.996 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -8.718 -8.899 -14.478 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -7.601 -9.342 -12.361 1.00 0.00 C ATOM 1079 CZ PHE A 99 -8.086 -9.796 -13.600 1.00 0.00 C ATOM 0 H PHE A 99 -9.302 -3.397 -11.713 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.316 -5.161 -13.632 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -7.955 -5.002 -13.072 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -8.262 -5.517 -11.425 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.328 -6.856 -14.804 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.391 -7.648 -11.040 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.096 -9.248 -15.427 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.109 -10.029 -11.689 1.00 0.00 H new ATOM 0 HZ PHE A 99 -7.973 -10.834 -13.877 1.00 0.00 H new ATOM 1089 N LYS A 100 -11.124 -6.050 -10.529 1.00 0.00 N ATOM 1090 CA LYS A 100 -12.086 -6.876 -9.783 1.00 0.00 C ATOM 1091 C LYS A 100 -13.530 -6.615 -10.227 1.00 0.00 C ATOM 1092 O LYS A 100 -14.283 -7.564 -10.405 1.00 0.00 O ATOM 1093 CB LYS A 100 -11.867 -6.771 -8.256 1.00 0.00 C ATOM 1094 CG LYS A 100 -12.945 -5.977 -7.498 1.00 0.00 C ATOM 1095 CD LYS A 100 -12.573 -5.674 -6.043 1.00 0.00 C ATOM 1096 CE LYS A 100 -13.123 -4.295 -5.645 1.00 0.00 C ATOM 1097 NZ LYS A 100 -14.022 -4.354 -4.474 1.00 0.00 N ATOM 0 H LYS A 100 -10.556 -5.439 -9.943 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.895 -7.920 -10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.819 -7.778 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.899 -6.305 -8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -13.128 -5.038 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -13.879 -6.539 -7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -12.980 -6.442 -5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.490 -5.693 -5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.291 -3.626 -5.425 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.662 -3.866 -6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.363 -3.398 -4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.832 -4.969 -4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -13.504 -4.737 -3.658 1.00 0.00 H new ATOM 1111 N TYR A 101 -13.920 -5.353 -10.434 1.00 0.00 N ATOM 1112 CA TYR A 101 -15.279 -4.990 -10.827 1.00 0.00 C ATOM 1113 C TYR A 101 -15.623 -5.511 -12.225 1.00 0.00 C ATOM 1114 O TYR A 101 -16.714 -6.042 -12.430 1.00 0.00 O ATOM 1115 CB TYR A 101 -15.452 -3.468 -10.735 1.00 0.00 C ATOM 1116 CG TYR A 101 -16.831 -2.985 -11.145 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -17.968 -3.467 -10.466 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -16.983 -2.079 -12.213 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -19.252 -3.046 -10.852 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -18.268 -1.643 -12.596 1.00 0.00 C ATOM 1121 CZ TYR A 101 -19.407 -2.127 -11.910 1.00 0.00 C ATOM 1122 OH TYR A 101 -20.660 -1.705 -12.241 1.00 0.00 O ATOM 0 H TYR A 101 -13.296 -4.553 -10.332 1.00 0.00 H new ATOM 0 HA TYR A 101 -15.978 -5.465 -10.139 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -15.255 -3.150 -9.711 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -14.705 -2.987 -11.367 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -17.852 -4.162 -9.647 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -16.113 -1.717 -12.740 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -20.122 -3.427 -10.337 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -18.382 -0.942 -13.410 1.00 0.00 H new ATOM 0 HH TYR A 101 -20.606 -1.073 -12.988 1.00 0.00 H new ATOM 1132 N LEU A 102 -14.677 -5.413 -13.166 1.00 0.00 N ATOM 1133 CA LEU A 102 -14.831 -5.983 -14.501 1.00 0.00 C ATOM 1134 C LEU A 102 -14.874 -7.523 -14.458 1.00 0.00 C ATOM 1135 O LEU A 102 -15.766 -8.127 -15.058 1.00 0.00 O ATOM 1136 CB LEU A 102 -13.718 -5.443 -15.419 1.00 0.00 C ATOM 1137 CG LEU A 102 -13.762 -3.914 -15.659 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -12.625 -3.493 -16.605 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -15.118 -3.440 -16.196 1.00 0.00 C ATOM 0 H LEU A 102 -13.787 -4.937 -13.020 1.00 0.00 H new ATOM 0 HA LEU A 102 -15.790 -5.674 -14.916 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.752 -5.701 -14.986 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.782 -5.950 -16.382 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.623 -3.431 -14.692 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.666 -2.416 -16.766 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.665 -3.757 -16.161 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.737 -4.007 -17.559 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -15.093 -2.361 -16.346 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -15.326 -3.934 -17.145 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -15.900 -3.688 -15.479 1.00 0.00 H new ATOM 1151 N LEU A 103 -13.952 -8.174 -13.732 1.00 0.00 N ATOM 1152 CA LEU A 103 -13.915 -9.640 -13.648 1.00 0.00 C ATOM 1153 C LEU A 103 -15.148 -10.216 -12.925 1.00 0.00 C ATOM 1154 O LEU A 103 -15.643 -11.265 -13.337 1.00 0.00 O ATOM 1155 CB LEU A 103 -12.556 -10.132 -13.093 1.00 0.00 C ATOM 1156 CG LEU A 103 -12.539 -10.524 -11.600 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -12.982 -11.983 -11.388 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -11.151 -10.339 -10.980 1.00 0.00 C ATOM 0 H LEU A 103 -13.222 -7.707 -13.195 1.00 0.00 H new ATOM 0 HA LEU A 103 -13.984 -10.042 -14.659 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.237 -10.994 -13.679 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.816 -9.348 -13.251 1.00 0.00 H new ATOM 0 HG LEU A 103 -13.246 -9.857 -11.106 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.956 -12.220 -10.324 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.996 -12.114 -11.765 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -12.307 -12.650 -11.925 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.181 -10.626 -9.929 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.431 -10.965 -11.506 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.852 -9.294 -11.063 1.00 0.00 H new